| Entry |
|
|---|
| Name |
Quercetin 3-sophorotrioside;
Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside
|
|---|
| Formula |
C33H40O22
|
|---|
| Exact mass |
788.2011
|
|---|
| Mol weight |
788.6575
|
|---|
| Structure |
|
|---|
| Reaction |
R06813
|
|---|
| Pathway |
| map00944 | Flavone and flavonol biosynthesis |
|
|---|
| Enzyme |
2.4.1.240
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C12668 Quercetin 3-sophorotrioside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavonols
C12668 Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavones and flavonols
C12668 Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 55
1 O2x O 26.4351 -18.3563
2 C1y C 26.4351 -19.7566
3 C1y C 27.6508 -20.4568
4 C1y C 28.8594 -19.7566
5 C1y C 28.8594 -18.3563
6 C1y C 27.6508 -17.6561
7 O2a O 27.6527 -16.2557
8 C1b C 25.2229 -20.4575
9 O1a O 30.0727 -20.6659
10 O2a O 30.0727 -17.6569
11 O1a O 27.6527 -21.8571
12 C1y C 31.2849 -18.3581
13 O2x O 31.2783 -19.7565
14 C1y C 32.4906 -20.4575
15 C1y C 33.7037 -19.7583
16 C1y C 33.7047 -18.3580
17 C1y C 32.4926 -17.6568
18 C1b C 32.4894 -21.8578
19 O1a O 31.2763 -22.5572
20 O1a O 34.9160 -20.4593
21 O1a O 34.9180 -17.6586
22 O2a O 32.4914 -16.2564
23 O1a O 25.2235 -21.8578
24 C1y C 33.7035 -15.5552
25 O2x O 34.9141 -16.2569
26 C1y C 36.1262 -15.5557
27 C1y C 36.1251 -14.1554
28 C1y C 34.9116 -13.4562
29 C1y C 33.6995 -14.1574
30 C1b C 37.3395 -16.2549
31 O1a O 37.3407 -17.6553
32 O1a O 37.3372 -13.4542
33 O1a O 34.9104 -12.0559
34 O1a O 32.4855 -13.4596
35 C8y C 26.4528 -14.1545
36 C8y C 26.4470 -15.5534
37 C8y C 27.6644 -13.4581
38 O2x O 25.2412 -13.4464
39 C8y C 25.2295 -16.2500
40 C8x C 27.6703 -12.0591
41 C8x C 28.8702 -14.1663
42 C8y C 24.0238 -14.1428
43 C8y C 24.0181 -15.5417
44 O5x O 25.2237 -17.6488
45 C8x C 28.8819 -11.3627
46 C8y C 30.0876 -13.4698
47 C8x C 22.8182 -13.4405
48 C8y C 22.8182 -16.2440
49 C8y C 30.0935 -12.0708
50 C8y C 21.6006 -14.1428
51 C8x C 21.6006 -15.5417
52 O1a O 22.8182 -17.6430
53 O1a O 31.3109 -11.3744
54 O1a O 20.3890 -13.4405
55 O1a O 31.2975 -14.1751
BOND 60
1 14 18 1 #Up
2 4 9 1 #Up
3 18 19 1
4 3 4 1
5 15 20 1 #Down
6 5 10 1 #Down
7 16 21 1 #Up
8 4 5 1
9 17 22 1 #Down
10 3 11 1 #Down
11 8 23 1
12 5 6 1
13 24 22 1 #Up
14 12 10 1 #Up
15 6 1 1
16 6 7 1 #Up
17 1 2 1
18 24 25 1
19 25 26 1
20 26 27 1
21 27 28 1
22 28 29 1
23 29 24 1
24 2 8 1 #Up
25 26 30 1 #Up
26 12 13 1
27 30 31 1
28 13 14 1
29 27 32 1 #Down
30 14 15 1
31 28 33 1 #Up
32 15 16 1
33 29 34 1 #Down
34 16 17 1
35 17 12 1
36 2 3 1
37 35 36 2
38 35 37 1
39 35 38 1
40 36 39 1
41 36 7 1
42 37 40 1
43 37 41 2
44 38 42 1
45 39 43 1
46 39 44 2
47 40 45 2
48 41 46 1
49 42 47 2
50 43 48 2
51 45 49 1
52 47 50 1
53 48 51 1
54 48 52 1
55 49 53 1
56 50 54 1
57 42 43 1
58 46 49 2
59 50 51 2
60 46 55 1
|
|---|